ethyl 5-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H22BrClN2O4S MolecularWeight: 513.83238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br)C#N)C

InChI

InChI=1S/C21H22BrClN2O4S/c1-5-28-21(27)19-12(3)14(10-24)20(30-19)25-16(26)7-6-8-29-15-9-11(2)18(23)13(4)17(15)22/h9H,5-8H2,1-4H3,(H,25,26)